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Structure prediction for CASP7 targets using extensive all-atom refinement with Rosetta@home.

Type Information
Nr 16 (Research article)
Authors Das, Rhiju; Qian, Bin; Raman, Srivatsan; Vernon, Robert; Thompson, James; Bradley, Philip; Khare, Sagar; Tyka, Michael; Bhat, Divya; Chivian, Dylan; Kim, David; Sheffler, William; Malmström, Lars; Wollacott, Andrew; Wang, Chu; Andre, Ingemar; Baker, David
Title Structure prediction for CASP7 targets using extensive all-atom refinement with Rosetta@home.
Journal Proteins (2007) 1 118-128
DOI 10.1002/prot.21636
Citations 250 citations (journal impact: 3.42)
Abstract We describe predictions made using the Rosetta structure prediction methodology for both template-based modeling and free modeling categories in the Seventh Critical Assessment of Techniques for Protein Structure Prediction. For the first time aggressive sampling and all-atom refinement could be carried out for the majority of targets an advance enabled by the Rosettahome distributed computing network. Template-based modeling predictions using an iterative refinement algorithm improved over the best existing templates for the majority of proteins with less than 200 residues. Free modeling methods gave near-atomic accuracy predictions for several targets under 100 residues from all secondary structure classes. These results indicate that refinement with an all-atom energy function although computationally expensive is a powerful method for obtaining accurate structure predictions. Proteins 2007. c 2007 Wiley-Liss Inc.